SCHEMBL35948

SCHEMBL35948

C[N+](C)(C)CCC(O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL28098240 0.97 MEN1 (0.45)
Hydrochloric Acid SCHEMBL35930 0.97 CYP3A4 (0.45)
Iodide SCHEMBL5787882 0.97 MEN1 (0.38)
Ammonia Solution, Strong SCHEMBL27633516 0.94 CYP3A4 (0.43)
Sulfuric Acid SCHEMBL5786333 0.84 BBOX1 (0.43)
SCHEMBL14958464 0.80 TSHR (0.32)
SCHEMBL8049934 0.80
Hydrochloric Acid SCHEMBL14957656 0.78 CYP3A4 (0.32)
Water SCHEMBL1334084 0.78 TSHR (0.42)
SCHEMBL15194008 0.75

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373282-B1 ODOR CONTROLLED PERSONAL CARE COMPOSITIONS CONTAINING DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS UNILEVER PLC (GB) 2013-02-13 EP claimed
US-8277786-B2 Odor controlled personal care compositions containing hydroxypropyl trialkylammonium salts CONOPCO, INC. (US) 2012-10-02 US claimed
US-20100173998-A1 ODOR CONTROLLED PERSONAL CARE COMPOSITIONS CONTAINING HYDROXYPROPYL TRIALKYLAMMONIUM SALTS CONOPCO, INC., D/B/A UNILEVER (US) 2010-07-08 US claimed
EP-1086072-B1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF UNIV MICHIGAN STATE (US) 2006-10-18 EP claimed
EP-1086072-A4 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF UNIV MICHIGAN STATE (US) 2004-12-22 EP claimed
EP-1086072-A1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF MICHIGAN STATE UNIVERSITY (US) 2001-03-28 EP claimed
US-6084131-A Process for the preparation of protected dihydroxypropyl trialkylammonium salts and derivatives thereof BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2000-07-04 US claimed
WO-1999062863-A1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF MICHIGAN STATE UNIVERSITY (US) 1999-12-09 WO claimed
CN-107846880-A Antimicrobial compositions 荷兰联合利华有限公司 2018-03-27 CN disclosed
CN-102971050-B The foam of fat acidyl glycine salt surfactant strengthens 荷兰联合利华有限公司 2016-11-23 CN disclosed
EP-2592928-B1 PRESERVATIVE SYSTEM AND COMPOSITION BASED ON GLYCINATE AND DIHYDROXYPROPYL QUATERNARY AMMONIUM SALT COMBINATION UNILEVER PLC (GB) 2014-04-30 EP disclosed
EP-2593188-B1 FOAM ENHANCEMENT OF FATTY ACYL GLYCINATE SURFACTANTS UNILEVER PLC (GB) 2014-04-30 EP disclosed
US-8501808-B2 Foam enhancement of fatty acyl glycinate surfactants CONOPCO, INC. (US) 2013-08-06 US disclosed
EP-2592928-A1 PRESERVATIVE SYSTEM AND COMPOSITION BASED ON GLYCINATE AND DIHYDROXYPROPYL QUATERNARY AMMONIUM SALT COMBINATION Unilever PLC (GB) 2013-05-22 EP disclosed
CN-101048199-A Personal care compositions with glycerin and hydroxypropyl quaternary ammonium salts UNILEVER NV (NL) 2007-10-03 CN disclosed
EP-1086072-B1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF UNIV MICHIGAN STATE (US) 2006-10-18 EP disclosed
EP-1086072-A4 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF UNIV MICHIGAN STATE (US) 2004-12-22 EP disclosed
EP-1086072-A1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF MICHIGAN STATE UNIVERSITY (US) 2001-03-28 EP disclosed
US-6084131-A Process for the preparation of protected dihydroxypropyl trialkylammonium salts and derivatives thereof BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2000-07-04 US disclosed
WO-1999062863-A1 PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF MICHIGAN STATE UNIVERSITY (US) 1999-12-09 WO disclosed